NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.72
Van der Waals volume 226.18
Polar Surface Area 72.47
Van der Waals Surface Area 328.07
Refractivity 73.93

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ELEMENTAL PROPERTIESExact Mass 269.069
Isotope Formula C15H11NO4
Dot Disconnected Formula C15H11NO4
Dot Disconnected Isotope Formula C15H11NO4
Composition C (66.91%), H (4.12%), N (5.2%), O (23.77%)
Isotope Composition C (66.91%), H (4.12%), N (5.2%), O (23.77%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count31
Aliphatic Atom Count 8
Aliphatic Bond Count 10
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 33
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.